N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine

C12H15N3S2 — CID 62578414

IUPACN-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine
SMILESc1cnc(SCCNCCc2cccs2)nc1
InChIInChI=1S/C12H15N3S2/c1-3-11(16-9-1)4-7-13-8-10-17-12-14-5-2-6-15-12/h1-3,5-6,9,13H,4,7-8,10H2
InChIKeyDXVMOVUIRPBLFV-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.46
Rot. Bonds7

About N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine

N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine (PubChem CID 62578414) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine
PubChem CID62578414
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC NameN-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine
SMILESc1cnc(SCCNCCc2cccs2)nc1
InChIInChI=1S/C12H15N3S2/c1-3-11(16-9-1)4-7-13-8-10-17-12-14-5-2-6-15-12/h1-3,5-6,9,13H,4,7-8,10H2
InChIKeyDXVMOVUIRPBLFV-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride
CID 17123333
N-[2-(4-fluorophenyl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 60695389
N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62578547
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylethanamine
CID 62578123
N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62577565
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62989276
2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine (CID 62578414) is N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine is c1cnc(SCCNCCc2cccs2)nc1.
What is the InChIKey of N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine?
The InChIKey is DXVMOVUIRPBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-3-11(16-9-1)4-7-13-8-10-17-12-14-5-2-6-15-12/h1-3,5-6,9,13H,4,7-8,10H2.
What are the key properties of N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine?
N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine has a molecular weight of 265.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62578414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).